ethane;ethenyl (Z)-N-ethenylpent-2-enimidothioate

C11H19NS — CID 143891117

IUPACethane;ethenyl (Z)-N-ethenylpent-2-enimidothioate
SMILESC=C/N=C(/C=C\CC)SC=C.CC
InChIInChI=1S/C9H13NS.C2H6/c1-4-7-8-9(10-5-2)11-6-3;1-2/h5-8H,2-4H2,1H3;1-2H3/b8-7-,10-9-;
InChIKeyZPNKEJZOOBFCKT-CGGPWJJTSA-N
MW197.35 g/mol
LogP4.40
Rot. Bonds4

About ethane;ethenyl (Z)-N-ethenylpent-2-enimidothioate

ethane;ethenyl (Z)-N-ethenylpent-2-enimidothioate (PubChem CID 143891117) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is ethane;ethenyl (Z)-N-ethenylpent-2-enimidothioate.

Molecular Properties

Compound Nameethane;ethenyl (Z)-N-ethenylpent-2-enimidothioate
PubChem CID143891117
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Nameethane;ethenyl (Z)-N-ethenylpent-2-enimidothioate
SMILESC=C/N=C(/C=C\CC)SC=C.CC
InChIInChI=1S/C9H13NS.C2H6/c1-4-7-8-9(10-5-2)11-6-3;1-2/h5-8H,2-4H2,1H3;1-2H3/b8-7-,10-9-;
InChIKeyZPNKEJZOOBFCKT-CGGPWJJTSA-N
XLogP4.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

6-ethylsulfanyl-7-fluoro-4H-azepine
CID 138628081
ethyl N-[(Z)-pent-2-enyl]ethanimidothioate
CID 121330080
6-Propan-2-ylsulfanyl-2,3-dihydropyridine
CID 123139916
4-Methyl-4-methylsulfanylazepine
CID 138721240
ethane;(Z)-4-methylsulfanyl-N-[(Z)-prop-1-enyl]pent-3-en-2-imine
CID 141864707
(Z)-N-[(Z)-but-1-en-3-ynyl]-4-methylsulfanylpent-3-en-2-imine;ethane
CID 141875106
(E)-N-ethenyl-3-[(1E,3Z,5Z)-4-methylhepta-1,3,5-trienyl]sulfanylbut-2-en-1-imine
CID 141955722
4,4-Dimethyl-7-methylsulfanylazepine
CID 143885496
ethenyl (E)-N-ethenylhex-2-enimidothioate;2-methylpropane
CID 143891680
ethane;ethenyl (E)-N-ethenylhex-2-enimidothioate
CID 143891713
ethane;2-[(E)-pent-1-enyl]-4,5-dihydro-1,3-thiazole
CID 143892380
4-methyl-7-methylsulfanyl-4H-azepine
CID 144617439

Frequently Asked Questions

What is the IUPAC name of ethane;ethenyl (Z)-N-ethenylpent-2-enimidothioate?
The IUPAC name of ethane;ethenyl (Z)-N-ethenylpent-2-enimidothioate (CID 143891117) is ethane;ethenyl (Z)-N-ethenylpent-2-enimidothioate.
What is the SMILES notation for ethane;ethenyl (Z)-N-ethenylpent-2-enimidothioate?
The canonical SMILES for ethane;ethenyl (Z)-N-ethenylpent-2-enimidothioate is C=C/N=C(/C=C\CC)SC=C.CC.
What is the InChIKey of ethane;ethenyl (Z)-N-ethenylpent-2-enimidothioate?
The InChIKey is ZPNKEJZOOBFCKT-CGGPWJJTSA-N. The full InChI is InChI=1S/C9H13NS.C2H6/c1-4-7-8-9(10-5-2)11-6-3;1-2/h5-8H,2-4H2,1H3;1-2H3/b8-7-,10-9-;.
What are the key properties of ethane;ethenyl (Z)-N-ethenylpent-2-enimidothioate?
ethane;ethenyl (Z)-N-ethenylpent-2-enimidothioate has a molecular weight of 197.35 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethenyl (Z)-N-ethenylpent-2-enimidothioate is sourced from PubChem (CID 143891117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).